[3-(2-methylpropoxycarbonyl)phenyl] 5-bromanyl-2-butoxy-benzoate

Systemtic Name: [3-(2-methylpropoxycarbonyl)phenyl] 5-bromanyl-2-butoxy-benzoate Openeye Name: (3-isobutoxycarbonylphenyl) 5-bromo-2-butoxy-benzoate CAS Name: 5-bromo-2-butoxybenzoic acid [3-[2-methylpropoxy(oxo)methyl]phenyl] ester IUPAC Name: [3-(2-methylpropoxycarbonyl)phenyl] 5-bromo-2-butoxybenzoate Traditional Name: 5-bromo-2-butoxy-benzoic acid (3-isobutoxycarbonylphenyl) ester Formula: C22H25BrO5 MolecularWeight: 449.3349

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=CC(=C2)C(=O)OCC(C)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=CC(=C2)C(=O)OCC(C)C

InChI

InChI=1S/C22H25BrO5/c1-4-5-11-26-20-10-9-17(23)13-19(20)22(25)28-18-8-6-7-16(12-18)21(24)27-14-15(2)3/h6-10,12-13,15H,4-5,11,14H2,1-3H3